methyl 4-anilinothieno[3,2-c]pyridine-6-carboxylate

C15H12N2O2S — CID 53321904

IUPACmethyl 4-anilinothieno[3,2-c]pyridine-6-carboxylate
SMILESCOC(=O)c1cc2sccc2c(Nc2ccccc2)n1
InChIInChI=1S/C15H12N2O2S/c1-19-15(18)12-9-13-11(7-8-20-13)14(17-12)16-10-5-3-2-4-6-10/h2-9H,1H3,(H,16,17)
InChIKeyIYTAFKFJVMFFJQ-UHFFFAOYSA-N
MW284.34 g/mol
LogP3.83
Rot. Bonds3

About methyl 4-anilinothieno[3,2-c]pyridine-6-carboxylate

methyl 4-anilinothieno[3,2-c]pyridine-6-carboxylate (PubChem CID 53321904) has the molecular formula C15H12N2O2S and a molecular weight of 284.34 g/mol. Its IUPAC name is methyl 4-anilinothieno[3,2-c]pyridine-6-carboxylate.

Molecular Properties

Compound Namemethyl 4-anilinothieno[3,2-c]pyridine-6-carboxylate
PubChem CID53321904
Molecular FormulaC15H12N2O2S
Molecular Weight284.34 g/mol
Exact Mass284.06
IUPAC Namemethyl 4-anilinothieno[3,2-c]pyridine-6-carboxylate
SMILESCOC(=O)c1cc2sccc2c(Nc2ccccc2)n1
InChIInChI=1S/C15H12N2O2S/c1-19-15(18)12-9-13-11(7-8-20-13)14(17-12)16-10-5-3-2-4-6-10/h2-9H,1H3,(H,16,17)
InChIKeyIYTAFKFJVMFFJQ-UHFFFAOYSA-N
XLogP3.83
TPSA51.22 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.34
LogP ≤ 53.83
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of methyl 4-anilinothieno[3,2-c]pyridine-6-carboxylate?
The IUPAC name of methyl 4-anilinothieno[3,2-c]pyridine-6-carboxylate (CID 53321904) is methyl 4-anilinothieno[3,2-c]pyridine-6-carboxylate.
What is the SMILES notation for methyl 4-anilinothieno[3,2-c]pyridine-6-carboxylate?
The canonical SMILES for methyl 4-anilinothieno[3,2-c]pyridine-6-carboxylate is COC(=O)c1cc2sccc2c(Nc2ccccc2)n1.
What is the InChIKey of methyl 4-anilinothieno[3,2-c]pyridine-6-carboxylate?
The InChIKey is IYTAFKFJVMFFJQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H12N2O2S/c1-19-15(18)12-9-13-11(7-8-20-13)14(17-12)16-10-5-3-2-4-6-10/h2-9H,1H3,(H,16,17).
What are the key properties of methyl 4-anilinothieno[3,2-c]pyridine-6-carboxylate?
methyl 4-anilinothieno[3,2-c]pyridine-6-carboxylate has a molecular weight of 284.34 g/mol, XLogP of 3.83, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 4-anilinothieno[3,2-c]pyridine-6-carboxylate is sourced from PubChem (CID 53321904), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).